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	hartrees
Energy at 0K	-381.509192
Energy at 298.15K	-381.514913
Nuclear repulsion energy	59.888855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	2985	13.95
2	A	3187	2894	24.01
3	A	2517	2286	85.55
4	A	1568	1424	4.66
5	A	1428	1297	0.05
6	A	1206	1095	22.19
7	A	1073	975	41.77
8	A	785	713	0.65
9	A	723	656	7.64
10	A	3271	2970	12.68
11	A	2516	2284	127.06
12	A	1574	1429	5.92
13	A	1110	1008	21.86
14	A	736	669	1.46
15	A	253	230	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.069	1.191	0.000
P2	0.069	-0.672	0.000
H3	-0.931	1.622	0.000
H4	0.607	1.543	0.882
H5	0.607	1.543	-0.882
H6	-0.867	-0.885	-1.045
H7	-0.867	-0.885	1.045

	C1	P2	H3	H4	H5	H6	H7
C1		1.8639	1.0893	1.0917	1.0917	2.5057	2.5057
P2	1.8639		2.5032	2.4447	2.4447	1.4191	1.4191
H3	1.0893	2.5032		1.7757	1.7757	2.7165	2.7165
H4	1.0917	2.4447	1.7757		1.7644	3.4325	2.8451
H5	1.0917	2.4447	1.7757	1.7644		2.8451	3.4325
H6	2.5057	1.4191	2.7165	3.4325	2.8451		2.0901
H7	2.5057	1.4191	2.7165	2.8451	3.4325	2.0901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	98.596	C1	P2	H7	98.596
P2	C1	H3	113.289	P2	C1	H4	108.789
P2	C1	H5	108.789	H3	C1	H4	109.004
H3	C1	H5	109.004	H4	C1	H5	107.825
H6	P2	H7	94.855

All results from a given calculation for CH₃PH₂ (Methyl phosphine)

using model chemistry: HF/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken	CHELPG
1	C	-0.239	0.244
2	P	0.120	-0.305
3	H	0.061	-0.075
4	H	0.061	-0.016
5	H	0.061	-0.016
6	H	-0.032	0.084
7	H	-0.032	0.084

	x	y	z	Total
	-0.639	0.996	0.000	1.183
CHELPG
AIM
ESP

	x	y	z
x	4.439	0.479	0.000
y	0.479	5.592	0.000
z	0.000	0.000	4.960

<r²>	45.119
(<r²>)^1/2	6.717

All results from a given calculation for CH3PH2 (Methyl phosphine)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PH₂ (Methyl phosphine)